REMARK Name = BDB034634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.054 1.190 -1.801 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.009 2.056 -2.130 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -2.213 1.393 -2.178 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.263 2.223 -1.349 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.298 1.092 -1.481 0.00 0.00 +0.037 C ATOM 6 C LIG 1 2.710 0.532 -0.110 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.157 1.681 0.809 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.243 2.828 0.866 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.041 3.079 1.833 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 0.998 2.622 0.125 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.835 -0.494 -0.234 0.00 0.00 +0.220 C ATOM 12 N LIG 1 4.105 -1.304 0.871 0.00 0.00 -0.297 N ATOM 13 C LIG 1 5.137 -2.332 0.694 0.00 0.00 +0.136 C ATOM 14 C LIG 1 5.693 -2.826 2.031 0.00 0.00 +0.179 C ATOM 15 O LIG 1 4.638 -3.250 2.907 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 3.754 -2.156 3.179 0.00 0.00 +0.179 C ATOM 17 C LIG 1 3.104 -1.639 1.893 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.518 -0.565 -1.258 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 -1.667 -0.209 0.181 0.00 0.00 +0.059 A ATOM 20 C LIG 1 -0.855 -0.016 -0.950 0.00 0.00 +0.146 A ATOM 21 N LIG 1 0.029 -0.933 -1.416 0.00 0.00 -0.248 NA ATOM 22 C LIG 1 0.144 -2.079 -0.708 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -0.541 -2.377 0.471 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -1.447 -1.391 0.904 0.00 0.00 +0.030 A BRANCH 23 25 ATOM 25 C LIG 1 -0.293 -3.684 1.198 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -1.404 -4.399 1.930 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -0.293 -3.750 2.706 0.00 0.00 +0.009 C ENDBRANCH 23 25 BRANCH 19 28 ATOM 28 N LIG 1 -2.575 0.785 0.637 0.00 0.00 -0.339 N ATOM 29 H LIG 1 -2.923 1.315 -0.176 0.00 0.00 +0.146 HD BRANCH 28 32 ATOM 30 C LIG 1 -5.678 0.849 1.942 0.00 0.00 +0.121 C ATOM 31 C LIG 1 -4.491 1.836 1.806 0.00 0.00 +0.054 C ATOM 32 C LIG 1 -3.575 0.604 1.646 0.00 0.00 +0.075 C ATOM 33 C LIG 1 -4.817 -0.167 1.150 0.00 0.00 +0.054 C BRANCH 30 35 ATOM 34 C LIG 1 -7.983 0.348 1.380 0.00 0.00 +0.194 C ATOM 35 O LIG 1 -6.908 1.275 1.323 0.00 0.00 -0.380 OA ENDBRANCH 30 35 ENDBRANCH 28 32 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 2 36 ATOM 36 C LIG 1 -0.290 3.107 -3.114 0.00 0.00 +0.111 C BRANCH 36 37 ATOM 37 C LIG 1 0.143 2.779 -4.558 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -0.509 1.505 -5.095 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.660 2.709 -4.721 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 9